SCHEMBL3934628

SCHEMBL3934628

CC(C)(C)C#Cc1cccc(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.49
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA6 P23280 1/20 0.44
CA9 Q16790 1/20 0.44
TP53 P04637 1/20 0.42
HSD17B10 Q99714 2/20 0.42
KMO O15229 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 2/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
NR1H2 P55055 1/20 0.41
UNG P13051 1/20 0.41
SLC7A11 Q9UPY5 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3929847 0.88 HAO1 (0.50) HAO1RXRARXRBCA12CA1
SCHEMBL4630945 0.85 GRM5 (0.51) HAO1HSD17B10MAPTPTGES2POLB
Acetic Acid SCHEMBL4631027 0.84 GRM5 (0.48) HAO1HSD17B10ALDH1A1MAPTPTGES2
SCHEMBL4973133 0.83 CA12 (0.56) CA12CA1CA2CA6CA9
SCHEMBL27974625 0.80 CA12 (0.48) HAO1CA12CA1CA2CA6
SCHEMBL29488328 0.80 CA12 (0.48) HAO1CA12CA1CA2CA6
SCHEMBL10412856 0.80 CA12 (0.52) RXRARXRBCA12CA1CA2
SCHEMBL1927619 0.80 SLC7A11 (0.55) CA12CA1CA2CA6CA9
SCHEMBL24505937 0.79 CYP2D6 (0.40) HAO1CYP1A2CYP2C9ALDH1A1MAPT
SCHEMBL4953884 0.79 HRH3 (0.49) HAO1MAPTPTGES2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118261-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2009-05-07 US disclosed
EP-1831198-B1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-04-08 EP disclosed
US-20080207616-A1 Quinoxalines as B Baf Inhhibitors ASTRAZENECA AB (SE) 2008-08-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090118261-A1 QUINAZOLINONE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF HAO1 3201/4885RXRA 2404/4885RXRB 2370/4885
US-20080207616-A1 Quinoxalines as B Baf Inhhibitors BRAF, NRAS, ARAF HAO1 1344/4885RXRA 1890/4885RXRB 1484/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.